==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 22-AUG-03 1Q8Q . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR R.LORIS,I.VAN WALLE,H.DE GREVE,S.BEECKMANS,F.DEBOECK,L.WYNS, . 482 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 212 44.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 49 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 2 2 3 8 6 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A X 0 0 8 0, 0.0 56,-0.4 0, 0.0 249,-0.2 0.000 360.0 360.0 360.0 143.8 -5.6 3.0 14.7 2 2 A D + 0 0 16 247,-2.1 235,-2.1 250,-0.1 2,-0.3 0.791 360.0 33.9 -75.1 -30.0 -7.3 2.4 18.1 3 3 A S E +AB 236 249A 39 246,-1.3 246,-1.9 233,-0.2 2,-0.3 -0.959 65.9 170.1-129.6 148.5 -3.9 2.7 19.7 4 4 A L E +AB 235 248A 6 231,-2.0 231,-2.5 -2,-0.3 2,-0.3 -0.980 1.9 165.9-154.9 140.0 -0.8 4.8 18.9 5 5 A S E +AB 234 247A 30 242,-2.2 242,-2.2 -2,-0.3 2,-0.3 -0.988 3.4 173.3-156.3 152.0 2.5 5.6 20.6 6 6 A F E -AB 233 246A 6 227,-2.1 227,-2.6 -2,-0.3 2,-0.4 -0.981 13.2-150.8-154.8 156.3 5.9 7.1 19.9 7 7 A G E -AB 232 245A 7 238,-2.0 237,-1.6 -2,-0.3 238,-1.3 -0.981 11.1-173.2-142.9 130.4 9.0 8.1 21.7 8 8 A F E +A 231 0A 3 223,-3.7 223,-2.2 -2,-0.4 3,-0.1 -0.888 6.0 175.8-117.0 93.9 11.7 10.7 21.2 9 9 A P S S- 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.862 81.6 -6.5 -64.5 -33.2 14.5 10.2 23.9 10 10 A T S S- 0 0 61 -3,-0.1 20,-0.2 221,-0.1 234,-0.2 -0.858 77.8-112.3-146.5 176.3 16.4 13.0 22.1 11 11 A F - 0 0 0 18,-2.5 18,-0.2 -2,-0.3 19,-0.1 -0.725 28.6-165.9-123.8 82.7 15.8 15.0 18.9 12 12 A P - 0 0 18 0, 0.0 14,-0.0 0, 0.0 15,-0.0 -0.255 34.2-108.8 -61.5 155.0 18.3 14.3 16.1 13 13 A S S S+ 0 0 106 1,-0.2 2,-1.5 13,-0.0 13,-0.2 0.773 102.3 75.1 -59.8 -31.6 18.4 16.8 13.2 14 14 A D + 0 0 55 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.589 65.0 167.4 -87.9 84.2 16.9 14.5 10.6 15 15 A Q + 0 0 26 -2,-1.5 -2,-0.0 1,-0.1 -4,-0.0 -0.694 18.2 171.9 -95.1 149.0 13.2 14.4 11.5 16 16 A K S S+ 0 0 105 -2,-0.3 -1,-0.1 281,-0.1 281,-0.1 0.588 74.4 47.8-125.3 -27.0 10.5 13.1 9.3 17 17 A N S S+ 0 0 3 280,-0.1 36,-2.6 279,-0.1 2,-0.4 0.107 87.5 97.2-108.4 22.3 7.3 13.0 11.4 18 18 A L E -R 52 0B 17 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.931 59.1-147.3-115.6 135.4 7.3 16.5 12.9 19 19 A I E -R 51 0B 54 32,-3.0 32,-1.5 -2,-0.4 2,-0.5 -0.895 18.0-157.4 -99.3 116.4 5.4 19.5 11.7 20 20 A F E -R 50 0B 83 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.842 13.1-179.7 -97.9 128.1 7.4 22.6 12.4 21 21 A Q E > -R 49 0B 32 28,-2.7 28,-2.4 -2,-0.5 3,-1.2 -0.964 52.3 -11.4-127.2 144.7 5.5 25.9 12.6 22 22 A G E 3 S-R 48 0B 57 -2,-0.4 26,-0.3 26,-0.2 12,-0.1 -0.466 125.5 -21.4 72.6-138.1 6.9 29.4 13.3 23 23 A D T 3 S+ 0 0 60 24,-3.3 -1,-0.2 10,-0.2 25,-0.2 0.362 94.9 132.4 -90.7 5.1 10.5 29.6 14.5 24 24 A A < + 0 0 9 -3,-1.2 2,-0.3 25,-0.2 9,-0.2 -0.291 25.4 144.8 -62.3 137.6 10.7 26.0 15.8 25 25 A Q E -C 32 0A 106 7,-1.5 7,-3.0 9,-0.1 2,-0.4 -0.989 47.6 -93.2-165.5 164.7 13.8 23.9 14.9 26 26 A I E +C 31 0A 29 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.698 41.3 163.1 -89.5 134.0 16.3 21.3 16.0 27 27 A K E > -C 30 0A 60 3,-2.5 3,-0.8 -2,-0.4 -16,-0.1 -0.931 67.0 -6.7-152.5 123.7 19.6 22.3 17.6 28 28 A N T 3 S- 0 0 152 -2,-0.3 3,-0.1 1,-0.2 -17,-0.1 0.896 126.1 -56.3 58.1 45.8 21.9 20.1 19.6 29 29 A N T 3 S+ 0 0 99 -18,-0.2 -18,-2.5 1,-0.2 2,-0.3 0.701 121.9 89.5 61.2 24.8 19.6 17.1 19.7 30 30 A A E < S-C 27 0A 10 -3,-0.8 -3,-2.5 -20,-0.2 2,-0.7 -0.928 81.6-106.0-141.9 162.8 16.8 19.1 21.3 31 31 A V E -CD 26 228A 0 197,-3.0 197,-2.9 -2,-0.3 2,-1.1 -0.849 22.2-158.2 -98.7 117.7 13.9 21.2 19.9 32 32 A Q E -CD 25 227A 23 -7,-3.0 -7,-1.5 -2,-0.7 195,-0.2 -0.811 9.2-175.0 -92.8 99.0 14.3 24.9 20.2 33 33 A L + 0 0 0 193,-2.3 2,-0.3 -2,-1.1 -10,-0.2 0.870 67.6 48.4 -63.0 -38.4 10.7 26.1 20.1 34 34 A T S S- 0 0 1 192,-0.4 192,-0.2 -3,-0.1 -9,-0.1 -0.786 98.0 -92.5-107.8 150.7 11.7 29.8 20.1 35 35 A K - 0 0 67 -2,-0.3 8,-1.5 184,-0.1 2,-0.3 -0.195 39.7-175.5 -60.2 142.5 14.3 31.6 18.0 36 36 A T B -X 42 0C 23 6,-0.2 2,-0.1 -4,-0.1 -4,-0.0 -0.920 22.0-114.7-134.0 159.2 17.9 32.0 19.3 37 37 A D > - 0 0 56 4,-2.5 3,-2.5 -2,-0.3 6,-0.0 -0.233 45.9 -80.3 -87.7-177.4 20.9 33.9 17.8 38 38 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.768 132.4 51.8 -52.0 -30.5 24.2 32.6 16.5 39 39 A N T 3 S- 0 0 132 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.505 121.3-107.4 -86.8 -5.4 25.5 32.3 20.1 40 40 A G S < S+ 0 0 34 -3,-2.5 -2,-0.1 1,-0.3 185,-0.1 0.644 71.3 146.1 87.8 15.7 22.4 30.4 21.1 41 41 A N - 0 0 83 1,-0.1 -4,-2.5 38,-0.0 -1,-0.3 -0.689 52.6-107.2 -90.1 139.2 21.0 33.3 23.1 42 42 A P B -X 36 0C 13 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.282 34.2-156.7 -63.5 145.2 17.2 33.8 23.3 43 43 A V - 0 0 39 -8,-1.5 181,-0.3 181,-0.2 3,-0.2 -0.835 15.8-107.8-122.8 161.3 15.6 36.7 21.3 44 44 A A S S+ 0 0 42 -2,-0.3 177,-0.2 1,-0.2 176,-0.2 -0.342 88.7 32.7 -83.0 167.1 12.4 38.7 21.6 45 45 A S S S+ 0 0 99 175,-2.2 2,-0.3 177,-0.2 175,-0.2 0.951 82.6 134.8 52.3 65.3 9.3 38.5 19.4 46 46 A T E - S 0 219B 3 173,-2.1 173,-2.5 -3,-0.2 2,-0.3 -0.999 29.7-178.3-144.4 143.1 9.4 34.8 18.5 47 47 A V E + S 0 218B 24 -2,-0.3 -24,-3.3 171,-0.2 2,-0.3 -0.992 9.6 166.0-139.1 144.5 6.8 32.0 18.3 48 48 A G E +RS 22 217B 0 169,-2.1 169,-2.0 -2,-0.3 2,-0.3 -0.988 6.2 177.2-158.0 150.7 7.2 28.3 17.4 49 49 A R E -RS 21 216B 1 -28,-2.4 -28,-2.7 -2,-0.3 2,-0.3 -0.967 11.0-156.7-150.6 162.2 5.3 25.0 17.6 50 50 A I E -RS 20 215B 0 165,-2.1 165,-2.2 -2,-0.3 2,-0.3 -0.984 8.1-172.1-141.8 147.3 5.7 21.4 16.6 51 51 A L E -RS 19 214B 2 -32,-1.5 -32,-3.0 -2,-0.3 2,-0.3 -0.972 30.8-111.6-137.5 149.0 3.0 18.7 16.1 52 52 A F E -R 18 0B 0 161,-2.2 161,-0.2 -2,-0.3 -34,-0.2 -0.656 28.0-133.1 -79.9 141.9 3.4 15.0 15.5 53 53 A S S S+ 0 0 27 -36,-2.6 2,-0.2 -2,-0.3 -1,-0.1 0.889 82.0 80.2 -64.9 -42.8 2.3 14.2 11.9 54 54 A A S S- 0 0 0 -37,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.484 83.1-124.0 -71.0 133.0 0.0 11.2 12.6 55 55 A Q - 0 0 31 -2,-0.2 2,-0.5 157,-0.1 157,-0.2 -0.468 19.6-131.5 -75.4 147.0 -3.5 12.2 13.8 56 56 A V E -Y 211 0D 3 155,-3.4 155,-2.4 -2,-0.1 2,-1.5 -0.864 7.8-134.6-103.4 130.7 -4.7 10.7 17.1 57 57 A H E +Y 210 0D 9 -2,-0.5 153,-0.2 -56,-0.4 3,-0.1 -0.679 31.2 173.3 -85.0 92.4 -8.1 9.1 17.4 58 58 A L - 0 0 4 151,-1.6 9,-3.5 -2,-1.5 2,-0.3 0.841 62.6 -6.6 -69.3 -39.6 -9.2 10.8 20.7 59 59 A W E -E 66 0A 42 150,-1.4 2,-0.4 7,-0.3 7,-0.2 -0.989 57.1-143.7-156.2 158.4 -12.8 9.5 20.6 60 60 A E E >> -E 65 0A 6 5,-2.5 5,-1.6 -2,-0.3 4,-1.0 -0.963 2.4-165.4-132.4 115.2 -15.2 7.5 18.5 61 61 A K T >45S+ 0 0 160 -2,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.941 87.2 56.6 -62.3 -52.2 -18.9 8.3 18.3 62 62 A S T 345S+ 0 0 112 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.843 120.2 30.3 -50.7 -40.4 -20.0 5.1 16.6 63 63 A S T 345S- 0 0 29 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.512 102.2-128.3 -98.6 -7.6 -18.5 2.9 19.4 64 64 A S T <<5 + 0 0 75 -4,-1.0 176,-0.6 -3,-0.6 2,-0.3 0.854 59.3 144.1 63.0 35.4 -18.9 5.4 22.2 65 65 A R E < -EF 60 239A 18 -5,-1.6 -5,-2.5 174,-0.2 2,-0.4 -0.751 34.1-162.6-106.1 155.0 -15.3 5.0 23.1 66 66 A V E -EF 59 238A 14 172,-1.9 172,-1.9 -2,-0.3 -7,-0.3 -0.995 25.2-109.6-135.7 140.5 -12.9 7.7 24.4 67 67 A A E - F 0 237A 0 -9,-3.5 2,-0.5 -2,-0.4 170,-0.3 -0.385 13.1-148.1 -75.9 146.9 -9.1 7.5 24.5 68 68 A N E + F 0 236A 50 168,-2.4 168,-2.2 109,-0.1 2,-0.3 -0.964 32.8 179.2-106.9 121.1 -6.9 7.1 27.6 69 69 A F E -GF 176 235A 7 107,-1.1 107,-2.6 -2,-0.5 2,-0.4 -0.907 22.6-165.5-132.0 159.7 -3.6 9.0 26.9 70 70 A Q E -GF 175 234A 76 164,-2.3 164,-1.9 -2,-0.3 2,-0.5 -0.997 2.7-169.4-142.3 134.2 -0.3 9.8 28.5 71 71 A S E -GF 174 233A 0 103,-3.0 103,-2.8 -2,-0.4 2,-0.4 -0.986 5.3-175.4-129.3 121.9 2.3 12.4 27.5 72 72 A Q E +GF 173 232A 91 160,-2.5 160,-2.7 -2,-0.5 2,-0.3 -0.964 18.6 144.6-118.9 131.4 5.7 12.4 29.1 73 73 A F E -GF 172 231A 2 99,-2.2 99,-3.3 -2,-0.4 2,-0.3 -0.987 31.3-144.7-159.2 163.9 8.3 15.1 28.3 74 74 A S E +GF 171 230A 11 156,-1.4 155,-2.3 -2,-0.3 156,-1.2 -0.988 19.9 168.7-136.8 144.9 11.0 17.3 29.7 75 75 A F E -GF 170 228A 3 95,-1.5 95,-3.1 -2,-0.3 2,-0.3 -0.959 15.9-151.9-148.2 164.8 12.1 20.9 28.9 76 76 A S E - F 0 227A 15 151,-1.8 151,-2.2 -2,-0.3 2,-0.4 -0.972 6.5-148.4-139.9 153.6 14.4 23.6 30.3 77 77 A L E - F 0 226A 6 88,-0.5 90,-4.0 91,-0.4 2,-0.4 -0.977 15.3-178.9-125.0 137.3 14.3 27.4 30.1 78 78 A K E + F 0 225A 35 147,-0.7 147,-2.8 -2,-0.4 3,-0.1 -0.998 8.4 158.0-138.4 140.4 17.4 29.6 30.0 79 79 A S - 0 0 11 -2,-0.4 5,-0.1 145,-0.2 145,-0.1 -0.923 42.1-140.6-164.2 134.6 17.7 33.4 30.0 80 80 A P S S+ 0 0 107 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.770 94.0 74.6 -64.6 -24.5 20.3 36.1 30.8 81 81 A L S S- 0 0 60 142,-0.3 3,-0.2 1,-0.1 -2,-0.1 -0.350 79.7-140.9 -80.7 166.9 17.3 38.0 32.1 82 82 A S S S+ 0 0 112 1,-0.2 2,-0.1 -2,-0.1 -1,-0.1 0.396 96.8 64.6-108.6 -1.6 15.6 37.1 35.4 83 83 A N S S- 0 0 110 140,-0.1 -1,-0.2 2,-0.0 140,-0.1 -0.465 76.6-179.6-116.0 54.5 12.1 37.9 33.9 84 84 A G - 0 0 1 -3,-0.2 2,-0.3 -5,-0.1 140,-0.2 -0.273 20.4-115.8 -59.6 142.5 12.1 35.1 31.3 85 85 A A - 0 0 0 135,-0.1 139,-0.3 47,-0.1 2,-0.1 -0.958 44.9 -18.5-145.6 161.1 9.0 35.0 29.1 86 86 A D - 0 0 6 -2,-0.3 45,-1.3 137,-0.2 46,-0.9 -0.955 68.1-119.1-111.1 -20.9 6.6 33.8 28.1 87 87 A G E -TU 130 218B 0 131,-0.9 131,-1.3 43,-0.2 2,-0.3 -0.698 11.6-102.3 142.5 165.4 6.2 30.0 28.5 88 88 A I E -TU 129 217B 1 41,-1.3 41,-2.2 -2,-0.2 2,-0.4 -0.893 29.9-166.8-121.3 151.1 5.8 26.6 26.9 89 89 A A E -TU 128 216B 0 127,-2.9 127,-2.5 -2,-0.3 2,-0.5 -0.998 20.8-142.7-145.2 141.8 2.7 24.5 26.5 90 90 A F E -TU 127 215B 3 37,-2.1 37,-2.7 -2,-0.4 2,-0.3 -0.840 39.3-179.6 -93.1 132.1 1.7 21.0 25.6 91 91 A F E -TU 126 214B 0 123,-2.4 123,-2.1 -2,-0.5 2,-0.4 -0.947 30.1-154.1-140.5 162.4 -1.5 21.1 23.5 92 92 A I E +TU 125 213B 7 33,-2.7 33,-1.9 -2,-0.3 121,-0.2 -0.998 33.2 145.4-130.6 131.8 -4.2 19.1 21.7 93 93 A A E - 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